SCHEMBL6744175

SCHEMBL6744175

O=C1Cc2ccc(-c3ccncc3)cc2N1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.76
PDE3A Q14432 3/20 0.76
CRBN Q96SW2 3/20 0.56
AHR P35869 3/20 0.54
CMA1 P23946 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
EIF2AK2 P19525 1/20 0.53
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CDC7 O00311 1/20 0.49
ROCK2 O75116 1/20 0.49
MAP4K4 O95819 1/20 0.49
PRKACA P17612 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
KDM1A O60341 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29850050 1.00 PDE3B (0.76) PDE3BPDE3ACRBNAHRCMA1
SCHEMBL23143482 0.86 PDE3B (1.00) PDE3BPDE3AAHRCYP1A2CYP11B1
SCHEMBL16321811 0.84 PDE3B (0.55) PDE3BPDE3ACRBNAHRCMA1
SCHEMBL6746651 0.83 CYP11B1 (0.55) PDE3BPDE3ACRBNAHRCMA1
SCHEMBL731334 0.83 PIK3CA (0.59) PDE3BPDE3ACRBNCYP1A2CYP11B1
SCHEMBL3659028 0.83 CYP11B1 (0.79) PDE3BPDE3ACRBNCYP1A2CYP11B1
SCHEMBL29899622 0.83 CYP11B1 (0.79) PDE3BPDE3ACRBNCYP1A2CYP11B1
SCHEMBL23143591 0.83 CMA1 (0.55) PDE3BPDE3ACRBNAHRCMA1
SCHEMBL23143561 0.83 PDE3B (0.54) PDE3BPDE3ACRBNAHRCMA1
SCHEMBL23143575 0.83 PDE3B (0.54) PDE3BPDE3ACRBNAHRCMA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
CN-114929670-A Therapeutic compounds and methods of use thereof 新加坡科技研究局 2022-08-19 CN disclosed
EP-4034526-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Agency for Science, Technology and Research (A*STAR) (SG) 2022-08-03 EP disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 WO disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 WO disclosed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO disclosed
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF UBQLN2, TXNRD1, TXNRD2 PDE3B 3649/4885PDE3A 3826/4885CRBN 342/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP PDE3B 4185/4885PDE3A 4198/4885CRBN 33/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.